2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide

C24H23N3O3 — CID 167789116

IUPAC2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide
SMILESCc1ccc2c(c1)CCC2NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C24H23N3O3/c1-15-6-12-19-16(14-15)7-13-21(19)27-24(29)26-17-8-10-18(11-9-17)30-22-5-3-2-4-20(22)23(25)28/h2-6,8-12,14,21H,7,13H2,1H3,(H2,25,28)(H2,26,27,29)
InChIKeyJVBVKGWKQLGMDM-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.70
Rot. Bonds5

About 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide

2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide (PubChem CID 167789116) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide.

Molecular Properties

Compound Name2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide
PubChem CID167789116
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide
SMILESCc1ccc2c(c1)CCC2NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C24H23N3O3/c1-15-6-12-19-16(14-15)7-13-21(19)27-24(29)26-17-8-10-18(11-9-17)30-22-5-3-2-4-20(22)23(25)28/h2-6,8-12,14,21H,7,13H2,1H3,(H2,25,28)(H2,26,27,29)
InChIKeyJVBVKGWKQLGMDM-UHFFFAOYSA-N
XLogP4.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide?
The IUPAC name of 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide (CID 167789116) is 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide.
What is the SMILES notation for 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide?
The canonical SMILES for 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide is Cc1ccc2c(c1)CCC2NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide?
The InChIKey is JVBVKGWKQLGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-6-12-19-16(14-15)7-13-21(19)27-24(29)26-17-8-10-18(11-9-17)30-22-5-3-2-4-20(22)23(25)28/h2-6,8-12,14,21H,7,13H2,1H3,(H2,25,28)(H2,26,27,29).
What are the key properties of 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide?
2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide is sourced from PubChem (CID 167789116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).